N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide

C15H14N4O — CID 63821420

IUPACN-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESN#CC(NC(=O)c1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C15H14N4O/c16-8-14(11-6-7-11)18-15(20)12-9-17-19(10-12)13-4-2-1-3-5-13/h1-5,9-11,14H,6-7H2,(H,18,20)
InChIKeyIMXWRAYAFPLDGK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.90
Rot. Bonds4

About N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide

N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 63821420) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID63821420
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESN#CC(NC(=O)c1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C15H14N4O/c16-8-14(11-6-7-11)18-15(20)12-9-17-19(10-12)13-4-2-1-3-5-13/h1-5,9-11,14H,6-7H2,(H,18,20)
InChIKeyIMXWRAYAFPLDGK-UHFFFAOYSA-N
XLogP1.90
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 63823243
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-[(S)-cyano-(2,4-difluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 95618021
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(1-chlorobutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 114294313
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
N-(1-adamantyl)-1-phenylpyrazole-4-carboxamide
CID 27650301
N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
CID 80661828
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 155566444
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 63821420) is N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide is N#CC(NC(=O)c1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is IMXWRAYAFPLDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-8-14(11-6-7-11)18-15(20)12-9-17-19(10-12)13-4-2-1-3-5-13/h1-5,9-11,14H,6-7H2,(H,18,20).
What are the key properties of N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide?
N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 63821420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).